Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
-8.7497 1.1490 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8596 -0.2975 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8978 -0.5805 1.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4606 -0.3003 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0612 -1.1489 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6414 -0.8830 -0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4307 0.5460 -1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0011 0.7925 -1.5256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9917 0.5218 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6371 0.8180 -1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4869 0.5870 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5472 -0.8003 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5419 -1.0681 1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9789 -0.8496 1.3683 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5244 0.5067 1.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0492 0.5112 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5599 -0.2783 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0550 -0.1774 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6475 0.4884 0.7907 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8189 -0.8436 -1.0998 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 -0.7125 -1.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5789 0.7272 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2321 1.3428 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7280 1.5849 -0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0257 1.2800 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3331 1.7203 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8786 -0.5012 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6878 -0.9377 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1743 0.0798 2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9413 -1.6556 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3354 0.7880 0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8238 -0.5735 1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2192 -2.2223 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6944 -0.8369 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9365 -1.0634 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3715 -1.5833 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7519 1.2792 -0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0459 0.7202 -2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9467 1.8581 -1.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8089 0.1776 -2.4203 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0208 -0.5960 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2208 1.0222 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6158 1.8753 -1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5088 0.1941 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3951 0.7211 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4338 1.3123 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4458 -1.1656 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7114 -1.5277 -0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2371 -0.5621 2.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3708 -2.1734 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4659 -1.2375 2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4397 -1.5923 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3399 1.0854 2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1771 1.1409 0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5079 0.1848 2.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3881 1.5674 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2431 0.1791 -1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2632 -1.3229 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3187 -1.3837 -1.8137 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6434 -1.0934 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7153 -1.3148 -1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2685 1.2759 -2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4607 2.4030 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5670 0.8435 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers